N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine

C10H8BrF2N5 — CID 80930315

IUPACN-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(Nc2c(F)cc(Br)cc2F)ncn1
InChIInChI=1S/C10H8BrF2N5/c11-5-1-6(12)10(7(13)2-5)17-8-3-9(18-14)16-4-15-8/h1-4H,14H2,(H2,15,16,17,18)
InChIKeyJYJOFSSEFXHHRM-UHFFFAOYSA-N
MW316.11 g/mol
LogP2.55
Rot. Bonds3

About N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine

N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine (PubChem CID 80930315) has the molecular formula C10H8BrF2N5 and a molecular weight of 316.11 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
PubChem CID80930315
Molecular FormulaC10H8BrF2N5
Molecular Weight316.11 g/mol
Exact Mass314.99
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(Nc2c(F)cc(Br)cc2F)ncn1
InChIInChI=1S/C10H8BrF2N5/c11-5-1-6(12)10(7(13)2-5)17-8-3-9(18-14)16-4-15-8/h1-4H,14H2,(H2,15,16,17,18)
InChIKeyJYJOFSSEFXHHRM-UHFFFAOYSA-N
XLogP2.55
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.11
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyridin-2-amine
CID 80931237
N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 107608457
N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80927394
N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928582
6-hydrazinyl-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
CID 80919229
N-(2-bromo-5-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 81272468
6-N-propyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine
CID 80855507
N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80923986
2-fluoro-6-[(6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80907497
N-[(4-bromophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80917172
6-hydrazinyl-N-(4-iodophenyl)pyrimidin-4-amine
CID 80927130
2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine
CID 65467537

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine (CID 80930315) is N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine is NNc1cc(Nc2c(F)cc(Br)cc2F)ncn1.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
The InChIKey is JYJOFSSEFXHHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N5/c11-5-1-6(12)10(7(13)2-5)17-8-3-9(18-14)16-4-15-8/h1-4H,14H2,(H2,15,16,17,18).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine?
N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine has a molecular weight of 316.11 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80930315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).